Related papers: Modification of the charge and magnetic order of a…
We use the first principles and effective Hamiltonian methods to study the electronic structure and magnetic properties of a recently synthesized layered antiferromagnetic square net topological semimetal EuZnSb$_2$ [1]. The main message of…
The quantum mechanical screening of a spin via conduction electrons depends sensitively on the environment seen by the magnetic impurity. A high degree of responsiveness can be obtained with metal complexes, as the embedding of a metal ion…
The adsorption of two kinds of porphyrin (Cu-TBPP) and perylene (PTCDA) derived organic molecules deposited on KBr and Al2O3 surfaces has been studied by non-contact force microscopy in ultra-high vacuum, our goal being the assembly of…
The spatial arrangement of adsorbates deposited onto a clean surface in vacuum typically cannot be reversibly tuned. Here we use scanning tunneling microscopy to demonstrate that molecules deposited onto graphene field-effect transistors…
The present study of small molecules containing silicon has been motivated by (a) the considerable interest being shown currently in the kinetics and reactivity of such molecules, and (b) the biotechnological potential of silicon-derivate…
Artificial magnetism at optical frequencies can be realized in metamaterials composed of periodic arrays of subwavelength elements, also called "meta-atoms". Optically-induced magnetic moments can be arranged in both unstaggered structures,…
The single molecule magnet (SMM) bis(phthalocyaninato)terbium (III) (TbPc$_2$) has attracted steady research attention as an exemplar system for realizing molecule-based spin electronics. In this paper, we report on the spontaneous…
A full three-dimensional model for the calculation of the electronic structure of semiconductor quantum dots (QD) and molecules (QDM) grown on high index surfaces and/or in the presence of an external magnetic field is presented. The strain…
Perpendicular magnetic anisotropy (PMA) plays a critical role in the development of spintronics, thereby demanding new strategies to control PMA. Here we demonstrate a conceptually new type of interface induced PMA that is controlled by…
Altermagnets represent a novel category of magnetic materials characterized by zero net magnetization yet featuring spin-split band structures, and they demonstrate distinctive orbital-spin locking phenomena. Commencing from the minimal…
Although common in nature, the self-assembly of small molecules at sold-liquid interfaces is difficult to control in artificial systems. The high mobility of dissolved small molecules limits their residence at the interface, typically…
Molecular nanomagnets show clear signatures of coherent behavior and have a wide variety of effective low-energy spin Hamiltonians suitable for encoding qubits and implementing spin-based quantum information processing. At the nanoscale,…
Recent observations of topological spin textures brought spintronics one step closer to new magnetic memories. Nevertheless, the existence of Skyrmions, as well as their stabilization, require very specific intrinsic magnetic properties…
Recently, Trepte et al. [J. Chem. Phys., vol. 155, 2021] pointed out the importance of analyzing dipole moments in the Fermi-L\"owdin orbital (FLO) self-interaction correction (SIC) for cyclic, planar molecules. In this manuscript, the…
Embedding a magnetic electroactive molecule in a three-terminal junction allows for the fast and local electric field control of magnetic properties desirable in spintronic devices and quantum gates. Here, we provide an example of this…
The ability to tune magnetic orders, such as magnetic anisotropy and topological spin texture, is desired in order to achieve high-performance spintronic devices. A recent strategy has been to employ interfacial engineering techniques, such…
The effect of hydrogen adsorption on the magnetic properties of an Fe$_3$ cluster immersed in a Cu(111) surface has been calculated using densifty functional theory and the results used to parametrize an Alexander-Anderson model which takes…
The electronic and magnetic properties of single 3d transition-metal(TM) atom (V, Cr, Mn, Fe, Co, and Ni) adsorbed graphdiyne (GDY) and graphyne (GY) are systematically studied using first-principles calculations within the density…
Enhanced optical absorption of molecules in the vicinity of metallic nanostructures is key to a number of surface-enhanced spectroscopies and of great general interest to the fields of plasmonics and nano-optics. Yet, experimental access to…
We study theoretically low-temperature phases of a recently synthesized compound Sr$_2$CoO$_3$F under pressure. The analysis combining LDA+DMFT and a strong-coupling effective model points to the existence of not only normal paramagnetic…